Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Compare Angles

QCISD(TQ)/cc-pCVTZ for aHCH

Histogram of angle differences (in degrees) vs number of species

Differences greater than 0.000022 are in the 0.000022 bin. Differences less than -0.000002 are in the -0.000002 bin.

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	0
		-0.000002			0			0.000002			0.000004			0.000006			0.000008			0.00001			0.000012			0.000014			0.000016			0.000018			0.00002			0.000022
Angle difference calc. - exp. (degrees)